N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]cycloheptanamine; ethanedioic acid

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]cycloheptanamine; ethanedioic acid Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]cycloheptanamine; oxalic acid CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]cycloheptanamine; oxalic acid IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]cycloheptanamine; oxalic acid Traditional Name: cycloheptyl-(4,5-dimethoxy-2-nitro-benzyl)amine; oxalic acid Formula: C18H26N2O8 MolecularWeight: 398.40764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC2CCCCCC2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC2CCCCCC2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O4.C2H2O4/c1-21-15-9-12(14(18(19)20)10-16(15)22-2)11-17-13-7-5-3-4-6-8-13;3-1(4)2(5)6/h9-10,13,17H,3-8,11H2,1-2H3;(H,3,4)(H,5,6)